Utilizing reinforcement learning for de novo drug design
Journal article, 2024
Reinforcement learning
De novo drug design
Policy optimization
Replay buffer
Recurrent neural network
Author
Hampus Gummesson Svensson
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
AstraZeneca AB
Christian Tyrchan
AstraZeneca AB
Ola Engkvist
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers)
Morteza Haghir Chehreghani
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Machine Learning
0885-6125 (ISSN) 1573-0565 (eISSN)
Vol. 113 7 4811-4843Subject Categories
Computer Science
DOI
10.1007/s10994-024-06519-w